Study : Rv0512 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: DSB_A_2(1EB3) / Model_42(1EB3/A) = [3.1] Download303.4618.45MSMSSYPRQRPRRLRSTVAMRRLVAQTSLEPRHLVLPMFVADGIDEPRPITSMPGVVQHTRDSLRRAAAAAVAAGVGGLMLFGVPRDQDKDGVGSAGIDPDGILNVALRDLAKDLGEATVLMADTCLDEFTDHGHCGVLDDRGRVDNDATVARYVELAVAQAESGAHVVGPSGMMDGQVAAIRDGLDAAGYIDVVILAYAAKFASAFYGPFREAVSSSLSGDRRTYQQEPGNAAEALREIELDLDEGADIVMVKPAMGYLDVVAAAADVSPVPVAAYQVSGEYAMIRAAAANNWIDERAAVLESLTGIRRAGADIVLTYWAVDAAGWLT
Complex: GOL_A_8(5IC2) / Model_4(5IC2/A) = [3.3] Download428.7516.00MSMSSYPRQRPRRLRSTVAMRRLVAQTSLEPRHLVLPMFVADGIDEPRPITSMPGVVQHTRDSLRRAAAAAVAAGVGGLMLFGVPRDQDKDGVGSAGIDPDGILNVALRDLAKDLGEATVLMADTCLDEFTDHGHCGVLDDRGRVDNDATVARYVELAVAQAESGAHVVGPSGMMDGQVAAIRDGLDAAGYIDVVILAYAAKFASAFYGPFREAVSSSLSGDRRTYQQEPGNAAEALREIELDLDEGADIVMVKPAMGYLDVVAAAADVSPVPVAAYQVSGEYAMIRAAAANNWIDERAAVLESLTGIRRAGADIVLTYWAVDAAGWLT
Complex: DSB_B_8(1I8J) / Model_21(1I8J/B) = [3.3] Download277.4019.68MSMSSYPRQRPRRLRSTVAMRRLVAQTSLEPRHLVLPMFVADGIDEPRPITSMPGVVQHTRDSLRRAAAAAVAAGVGGLMLFGVPRDQDKDGVGSAGIDPDGILNVALRDLAKDLGEATVLMADTCLDEFTDHGHCGVLDDRGRVDNDATVARYVELAVAQAESGAHVVGPSGMMDGQVAAIRDGLDAAGYIDVVILAYAAKFASAFYGPFREAVSSSLSGDRRTYQQEPGNAAEALREIELDLDEGADIVMVKPAMGYLDVVAAAADVSPVPVAAYQVSGEYAMIRAAAANNWIDERAAVLESLTGIRRAGADIVLTYWAVDAAGWLT
Complex: KAH_A_2(1H7P) / Model_49(1H7P/A) = [3.4] Download209.6621.84MSMSSYPRQRPRRLRSTVAMRRLVAQTSLEPRHLVLPMFVADGIDEPRPITSMPGVVQHTRDSLRRAAAAAVAAGVGGLMLFGVPRDQDKDGVGSAGIDPDGILNVALRDLAKDLGEATVLMADTCLDEFTDHGHCGVLDDRGRVDNDATVARYVELAVAQAESGAHVVGPSGMMDGQVAAIRDGLDAAGYIDVVILAYAAKFASAFYGPFREAVSSSLSGDRRTYQQEPGNAAEALREIELDLDEGADIVMVKPAMGYLDVVAAAADVSPVPVAAYQVSGEYAMIRAAAANNWIDERAAVLESLTGIRRAGADIVLTYWAVDAAGWLT
Complex: SHF_A_3(1YLV) / Model_40(1YLV/A) = [3.4] Download250.5118.82MSMSSYPRQRPRRLRSTVAMRRLVAQTSLEPRHLVLPMFVADGIDEPRPITSMPGVVQHTRDSLRRAAAAAVAAGVGGLMLFGVPRDQDKDGVGSAGIDPDGILNVALRDLAKDLGEATVLMADTCLDEFTDHGHCGVLDDRGRVDNDATVARYVELAVAQAESGAHVVGPSGMMDGQVAAIRDGLDAAGYIDVVILAYAAKFASAFYGPFREAVSSSLSGDRRTYQQEPGNAAEALREIELDLDEGADIVMVKPAMGYLDVVAAAADVSPVPVAAYQVSGEYAMIRAAAANNWIDERAAVLESLTGIRRAGADIVLTYWAVDAAGWLT
Consensus
[pKd Mean = 3.30]
-293
(s=74)
18
(s=2)
MSMSSYPRQRPRRLRSTVAMRRLVAQTSLEPRHLVLPMFVADGIDEPRPITSMPGVVQHTRDSLRRAAAAAVAAGVGGLMLFGVPRDQDKDGVGSAGIDPDGILNVALRDLAKDLGEATVLMADTCLDEFTDHGHCGVLDDRGRVDNDATVARYVELAVAQAESGAHVVGPSGMMDGQVAAIRDGLDAAGYIDVVILAYAAKFASAFYGPFREAVSSSLSGDRRTYQQEPGNAAEALREIELDLDEGADIVMVKPAMGYLDVVAAAADVSPVPVAAYQVSGEYAMIRAAAANNWIDERAAVLESLTGIRRAGADIVLTYWAVDAAGWLT